REMARK  Name = BDB056077
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.118   0.320   0.327  0.00  0.00    +0.182 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -0.945  -0.472   0.913  0.00  0.00    -0.280 N 
ATOM      3  C   LIG    1       -1.709  -1.492   0.322  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -2.613  -1.949   1.286  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1       -3.529  -2.947   1.044  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -3.514  -3.506  -0.235  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -2.600  -3.070  -1.216  0.00  0.00    +0.022 A 
ATOM      8 CL   LIG    1       -4.628  -4.762  -0.621  0.00  0.00    -0.083 Cl
ATOM      9  N   LIG    1       -2.396  -1.240   2.461  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1       -2.873  -1.351   3.340  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1       -1.680  -2.050  -0.938  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1       -1.351  -0.330   2.257  0.00  0.00    +0.328 A 
ATOM     13  O   LIG    1       -0.895   0.428   3.097  0.00  0.00    -0.247 OA
ENDBRANCH   1   2
BRANCH   1  16
ATOM     14  N   LIG    1        2.557   0.234   0.069  0.00  0.00    -0.309 N 
ATOM     15  H   LIG    1        2.511   1.121   0.558  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        1.386  -0.511   0.035  0.00  0.00    +0.237 C 
ATOM     17  O   LIG    1        1.361  -1.700  -0.268  0.00  0.00    -0.274 OA
BRANCH  14  19
ATOM     18  C   LIG    1        4.243  -1.343   0.967  0.00  0.00    +0.031 C 
ATOM     19  C   LIG    1        3.905  -0.323  -0.131  0.00  0.00    +0.026 C 
ATOM     20  C   LIG    1        4.913   0.838  -0.048  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1        4.042  -0.972  -1.519  0.00  0.00    +0.031 C 
ENDBRANCH  14  19
ENDBRANCH   1  16
BRANCH   1  22
ATOM     22  C   LIG    1       -0.281   1.121  -0.926  0.00  0.00    +0.069 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.428   2.078  -0.698  0.00  0.00    -0.045 A 
ATOM     24  C   LIG    1       -1.242   3.252   0.045  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -2.307   4.126   0.267  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.568   3.836  -0.251  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.765   2.672  -0.990  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.701   1.797  -1.213  0.00  0.00    +0.004 A 
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 5